8014-6794 Screening compound: methyl 11-(9-ethyl-9H-carbazol-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Chemical Structure Depiction of ChemDiv screening compound 8014-6794
methyl 11-(9-ethyl-9H-carbazol-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8014-6794

Molecular Formula

C₃₀H₂₉N₃O₃ (C30 H29 N3 O3)

Compound Name

methyl 11-(9-ethyl-9H-carbazol-3-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

IUPAC name

methyl 10-(9-ethyl-9H-carbazol-3-yl)-14-methyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraene-13-carboxylate

SMILES

CCn1c(ccc(C2Nc(cccc3)c3NC(CC(C)C3C(OC)=O)=C2C3=O)c2)c2c2c1cccc2

InChI

InChI=1S/C30H29N3O3/c1-4-33-24-12-8-5-9-19(24)20-16-18(13-14-25(20)33)28-27-23(31-21-10-6-7-11-22(21)32-28)15-17(2)26(29(27)34)30(35)36-3/h5-14,16-17,26,28,31-32H,4,15H2,1-3H3

InChI Key

YBTJRSSOHJZJLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.950

Water Solubility, LogSw

-5.77

Polar Surface Area

58.521

Acid Dissociation Constant (pK_a)

9.46

Base Dissociation Constant (pK_b)

1.64

Number of Chiral Centers

3.00

Percent sp³ carbon bonding

26.70

8014-6794 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Infections
Immune system
animal
Antiviral
Infections
Immune system
Cancer
Digestive system
Hemic and lymphatic
Skin
Metabolic
Immune system
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic

Targets:

Kinases
Kinases
Others

Mechanism of action:

Epigenetic
PPI modulators
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with 8014-6794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6794?
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What is the minimum amount of 8014-6794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 8014-6794
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for 8014-6794

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-6794 available by request